(4-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol

C16H21BrO3 — CID 79900364

IUPAC(4-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
SMILESOC(c1ccc(Br)cc1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H21BrO3/c17-14-3-1-12(2-4-14)15(18)13-5-8-20-16(11-13)6-9-19-10-7-16/h1-4,13,15,18H,5-11H2
InChIKeyWWPQGNZIJGJBOJ-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.46
Rot. Bonds2

About (4-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol

(4-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol (PubChem CID 79900364) has the molecular formula C16H21BrO3 and a molecular weight of 341.25 g/mol. Its IUPAC name is (4-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol.

Molecular Properties

Compound Name(4-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
PubChem CID79900364
Molecular FormulaC16H21BrO3
Molecular Weight341.25 g/mol
Exact Mass340.07
IUPAC Name(4-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
SMILESOC(c1ccc(Br)cc1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H21BrO3/c17-14-3-1-12(2-4-14)15(18)13-5-8-20-16(11-13)6-9-19-10-7-16/h1-4,13,15,18H,5-11H2
InChIKeyWWPQGNZIJGJBOJ-UHFFFAOYSA-N
XLogP3.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1,9-dioxaspiro[5.5]undecan-4-yl(hydroxy)methyl]benzonitrile
CID 115481042
(5-bromo-2-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79906542
(2-amino-5-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 82697881
(2,5-dibromophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823298
2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol
CID 79899764
(4-bromophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79922225
(4,5-dibromofuran-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79902558
1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylfuran-3-yl)methanol
CID 115820856
2-(4-bromophenyl)-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetic acid
CID 79899400
(4-cyclopropylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79970798
(2,6-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79898859
(2,3-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79902767

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol?
The IUPAC name of (4-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol (CID 79900364) is (4-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol.
What is the SMILES notation for (4-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol?
The canonical SMILES for (4-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol is OC(c1ccc(Br)cc1)C1CCOC2(CCOCC2)C1.
What is the InChIKey of (4-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol?
The InChIKey is WWPQGNZIJGJBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrO3/c17-14-3-1-12(2-4-14)15(18)13-5-8-20-16(11-13)6-9-19-10-7-16/h1-4,13,15,18H,5-11H2.
What are the key properties of (4-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol?
(4-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol has a molecular weight of 341.25 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol is sourced from PubChem (CID 79900364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).